1-Fluoro-2-(3-isothiocyanatopropyl)benzene
Basic information
- CAS
943110-76-7- Standard SMILES
Fc1ccccc1CCCN=C=S- InChIKey
QOZVSXNNBKYWMB-UHFFFAOYSA-N- Molecular formula
- C10H10FNS
- Average molar mass
- 195.26 g/mol
- Monoisotopic mass
- 195.05179866
Names & identifiers
- Preferred name
- 1-Fluoro-2-(3-isothiocyanatopropyl)benzene
- IUPAC
- 1-fluoro-2-(3-isothiocyanatopropyl)benzene
Names & synonyms
1-fluoro-2-(3-isothiocyanatopropyl)benzeneDTXSID401264900AKOS000343534943110-76-7
Database identifiers
- CAS
943110-76-7- PubChem CID
- 20109714
- DTXSID
DTXSID401264900
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 44.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 189
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Compound notes
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